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CHEBI:166376 - Val-Thr-Asp

ChEBI IDCHEBI:166376
ChEBI NameVal-Thr-Asp
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H23N3O7
Net Charge0
Average Mass333.341
Monoisotopic Mass333.15360
SMILESCC(C)[C@H](N)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)O)[C@@H](C)O
InChIInChI=1S/C13H23N3O7/c1-5(2)9(14)11(20)16-10(6(3)17)12(21)15-7(13(22)23)4-8(18)19/h5-7,9-10,17H,4,14H2,1-3H3,(H,15,21)(H,16,20)(H,18,19)(H,22,23)/t6-,7+,9+,10+/m1/s1
InChIKeyDLRZGNXCXUGIDG-KKHAAJSZSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Val-Thr-Asp (CHEBI:166376) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S,3R)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-hydroxybutanoyl]amino]butanedioic acid